7-bicyclo[4.1.0]heptanyl-(2-cyclobutylphenyl)methanamine

C18H25N — CID 105052437

IUPAC7-bicyclo[4.1.0]heptanyl-(2-cyclobutylphenyl)methanamine
SMILESNC(c1ccccc1C1CCC1)C1C2CCCCC21
InChIInChI=1S/C18H25N/c19-18(17-14-9-2-3-10-15(14)17)16-11-4-1-8-13(16)12-6-5-7-12/h1,4,8,11-12,14-15,17-18H,2-3,5-7,9-10,19H2
InChIKeyWMMDXSHUVYKMNW-UHFFFAOYSA-N
MW255.41 g/mol
LogP4.39
Rot. Bonds3

About 7-bicyclo[4.1.0]heptanyl-(2-cyclobutylphenyl)methanamine

7-bicyclo[4.1.0]heptanyl-(2-cyclobutylphenyl)methanamine (PubChem CID 105052437) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl-(2-cyclobutylphenyl)methanamine.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl-(2-cyclobutylphenyl)methanamine
PubChem CID105052437
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name7-bicyclo[4.1.0]heptanyl-(2-cyclobutylphenyl)methanamine
SMILESNC(c1ccccc1C1CCC1)C1C2CCCCC21
InChIInChI=1S/C18H25N/c19-18(17-14-9-2-3-10-15(14)17)16-11-4-1-8-13(16)12-6-5-7-12/h1,4,8,11-12,14-15,17-18H,2-3,5-7,9-10,19H2
InChIKeyWMMDXSHUVYKMNW-UHFFFAOYSA-N
XLogP4.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-cyclobutylphenyl)-cyclopropylmethanamine
CID 114602603
(2-cyclobutylphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 114603457
1-(6-bicyclo[3.1.0]hexanyl)-1-(2-cyclobutylphenyl)-N-methylmethanamine
CID 105052166
(2-cyclobutylphenyl)-(oxolan-2-yl)methanamine
CID 114603352
2-amino-1-(2-cyclohexylphenyl)ethanol
CID 83837309
1-(2-cyclobutylphenyl)ethylhydrazine
CID 105201232
(2-cyclobutylphenyl)-(1-methylcyclopropyl)methanamine
CID 114604111
7-bicyclo[4.1.0]heptanyl-(2-propan-2-yloxyphenyl)methanamine
CID 105018412
7-bicyclo[4.1.0]heptanyl-(4-cyclobutylphenyl)methanamine
CID 105045090
(2-cyclobutylphenyl)-(4-methylphenyl)methanamine
CID 114602558
(2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 114602556
(2-cyclobutylphenyl)-pyridin-4-ylmethanamine
CID 114602569

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl-(2-cyclobutylphenyl)methanamine?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl-(2-cyclobutylphenyl)methanamine (CID 105052437) is 7-bicyclo[4.1.0]heptanyl-(2-cyclobutylphenyl)methanamine.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl-(2-cyclobutylphenyl)methanamine?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl-(2-cyclobutylphenyl)methanamine is NC(c1ccccc1C1CCC1)C1C2CCCCC21.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl-(2-cyclobutylphenyl)methanamine?
The InChIKey is WMMDXSHUVYKMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c19-18(17-14-9-2-3-10-15(14)17)16-11-4-1-8-13(16)12-6-5-7-12/h1,4,8,11-12,14-15,17-18H,2-3,5-7,9-10,19H2.
What are the key properties of 7-bicyclo[4.1.0]heptanyl-(2-cyclobutylphenyl)methanamine?
7-bicyclo[4.1.0]heptanyl-(2-cyclobutylphenyl)methanamine has a molecular weight of 255.41 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl-(2-cyclobutylphenyl)methanamine is sourced from PubChem (CID 105052437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).